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CHEBI:132381 - 2-O-deacetyleuonine

ChEBI IDCHEBI:132381
ChEBI Name2-O-deacetyleuonine
Stars
ASCII Name2-O-deacetyleuonine
DefinitionA dihydroagarofuran sesquiterpenoid with formula C36H45NO17 that is isolated from the root bark of Tripterygium hypoglaucum.
Last Modified28 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC36H45NO17
Net Charge0
Average Mass763.746
Monoisotopic Mass763.26875
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@]([H])([C@H](O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-26(49-18(3)39)30(52-21(6)42)35(15-47-17(2)38)29(51-20(5)41)25(43)28(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3/t16-,24+,25-,26+,27+,28-,29-,30+,33-,34-,35-,36-/m0/s1
InChIKeyXQFNOBWSYMSZPY-AMLILWTLSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) root (BTO:0001188) PubMed (23252270) From root bark
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-O-deacetyleuonine (CHEBI:132381) has role plant metabolite (CHEBI:76924)
2-O-deacetyleuonine (CHEBI:132381) is a acetate ester (CHEBI:47622)
2-O-deacetyleuonine (CHEBI:132381) is a bridged compound (CHEBI:35990)
2-O-deacetyleuonine (CHEBI:132381) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
2-O-deacetyleuonine (CHEBI:132381) is a macrolide (CHEBI:25106)
2-O-deacetyleuonine (CHEBI:132381) is a pyridine alkaloid (CHEBI:26416)
2-O-deacetyleuonine (CHEBI:132381) is a sesquiterpene alkaloid (CHEBI:26657)
Synonyms  Source
2-deacetylwilformineChEBI
2-deacetyleuonineChEBI
Manual XrefsDatabases
C00041262KNApSAcK
Registry NumbersSources
Reaxys:18610564Reaxys
CAS:147362-40-1KNApSAcK
Citations